2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

C30H37F2N5O4SSi — CID 175747273

About 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide

2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 175747273) has the molecular formula C30H37F2N5O4SSi and a molecular weight of 629.81 g/mol. Its IUPAC name is 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• PubChem CID: 175747273
• Molecular Formula: C30H37F2N5O4SSi
• Molecular Weight: 629.81 g/mol
• Exact Mass: 629.23
• IUPAC Name: 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide
• SMILES: COc1cccc(F)c1-c1cn2nc(-c3nnc(OCC4CCC(O[Si](C)(C)C(C)(C)C)CC4)s3)c(F)c2cc1C(N)=O
• InChI: InChI=1S/C30H37F2N5O4SSi/c1-30(2,3)43(5,6)41-18-12-10-17(11-13-18)16-40-29-35-34-28(42-29)26-25(32)22-14-19(27(33)38)20(15-37(22)36-26)24-21(31)8-7-9-23(24)39-4/h7-9,14-15,17-18H,10-13,16H2,1-6H3,(H2,33,38)
• InChIKey: KUEMLMMCXNJNRC-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 113.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.81
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The IUPAC name of 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide (CID 175747273) is 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide.

What is the SMILES notation for 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The canonical SMILES for 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is COc1cccc(F)c1-c1cn2nc(-c3nnc(OCC4CCC(O[Si](C)(C)C(C)(C)C)CC4)s3)c(F)c2cc1C(N)=O.

What is the InChIKey of 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

The InChIKey is KUEMLMMCXNJNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37F2N5O4SSi/c1-30(2,3)43(5,6)41-18-12-10-17(11-13-18)16-40-29-35-34-28(42-29)26-25(32)22-14-19(27(33)38)20(15-37(22)36-26)24-21(31)8-7-9-23(24)39-4/h7-9,14-15,17-18H,10-13,16H2,1-6H3,(H2,33,38).

What are the key properties of 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide?

2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 629.81 g/mol, XLogP of 6.86, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-[[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]methoxy]-1,3,4-thiadiazol-2-yl]-3-fluoro-6-(2-fluoro-6-methoxyphenyl)pyrazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 175747273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).